[(3S)-1-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]piperidin-3-yl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(3S)-1-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]piperidin-3-yl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(3S)-1-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-3-piperidyl]-methyl-ammonium CAS Name: [(3S)-1-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-3-piperidinyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(3S)-1-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]piperidin-3-yl]-methylazanium Traditional Name: benzyl-[(3S)-1-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-3-piperidyl]-methyl-ammonium Formula: C21H34N4+2 MolecularWeight: 342.52146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[NH+]C=C(N1)CN2CCCC(C2)[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

CCCCC1=[NH+]C=C(N1)CN2CCC[C@@H](C2)[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C21H32N4/c1-3-4-12-21-22-14-19(23-21)16-25-13-8-11-20(17-25)24(2)15-18-9-6-5-7-10-18/h5-7,9-10,14,20H,3-4,8,11-13,15-17H2,1-2H3,(H,22,23)/p+2/t20-/m0/s1