(2S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2-(2-naphthalen-1-ylethanoylamino)propanamide

Systemtic Name: (2S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2-(2-naphthalen-1-ylethanoylamino)propanamide Openeye Name: (2S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2-[[2-(1-naphthyl)acetyl]amino]propanamide CAS Name: (2S)-N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-2-[[2-(1-naphthalenyl)-1-oxoethyl]amino]propanamide IUPAC Name: (2S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-2-[(2-naphthalen-1-ylacetyl)amino]propanamide Traditional Name: (2S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2-[[2-(1-naphthyl)acetyl]amino]propionamide Formula: C28H35N4O2+ MolecularWeight: 459.6031

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C(C)NC(=O)CC3=CC=CC4=CC=CC=C43)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)[C@H](C)NC(=O)CC3=CC=CC4=CC=CC=C43)C

InChI

InChI=1S/C28H34N4O2/c1-4-31-14-16-32(17-15-31)24-12-13-26(20(2)18-24)30-28(34)21(3)29-27(33)19-23-10-7-9-22-8-5-6-11-25(22)23/h5-13,18,21H,4,14-17,19H2,1-3H3,(H,29,33)(H,30,34)/p+1/t21-/m0/s1