1-[(2S)-2-[(4-cyanophenyl)methylamino]-3-(3-methylimidazol-4-yl)propanoyl]-3-naphthalen-1-yl-pyridin-1-ium-4-carbonitrile

Systemtic Name: 1-[(2S)-2-[(4-cyanophenyl)methylamino]-3-(3-methylimidazol-4-yl)propanoyl]-3-naphthalen-1-yl-pyridin-1-ium-4-carbonitrile Openeye Name: 1-[(2S)-2-[(4-cyanophenyl)methylamino]-3-(3-methylimidazol-4-yl)propanoyl]-3-(1-naphthyl)pyridin-1-ium-4-carbonitrile CAS Name: 1-[(2S)-2-[(4-cyanophenyl)methylamino]-3-(3-methyl-4-imidazolyl)-1-oxopropyl]-3-(1-naphthalenyl)-4-pyridin-1-iumcarbonitrile IUPAC Name: 1-[(2S)-2-[(4-cyanophenyl)methylamino]-3-(3-methylimidazol-4-yl)propanoyl]-3-naphthalen-1-ylpyridin-1-ium-4-carbonitrile Traditional Name: 1-[(2S)-2-[(4-cyanobenzyl)amino]-3-(3-methylimidazol-4-yl)propanoyl]-3-(1-naphthyl)pyridin-1-ium-4-carbonitrile Formula: C31H25N6O+ MolecularWeight: 497.5698

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1CC(C(=O)[N+]2=CC(=C(C=C2)C#N)C3=CC=CC4=CC=CC=C43)NCC5=CC=C(C=C5)C#N

Isomeric SMILES

CN1C=NC=C1C[C@@H](C(=O)[N+]2=CC(=C(C=C2)C#N)C3=CC=CC4=CC=CC=C43)NCC5=CC=C(C=C5)C#N

InChI

InChI=1S/C31H25N6O/c1-36-21-34-19-26(36)15-30(35-18-23-11-9-22(16-32)10-12-23)31(38)37-14-13-25(17-33)29(20-37)28-8-4-6-24-5-2-3-7-27(24)28/h2-14,19-21,30,35H,15,18H2,1H3/q+1/t30-/m0/s1