3-(benzimidazol-1-yl)propyl-[(2S)-octan-2-yl]azanium

Systemtic Name: 3-(benzimidazol-1-yl)propyl-[(2S)-octan-2-yl]azanium Openeye Name: 3-(benzimidazol-1-yl)propyl-[(1S)-1-methylheptyl]ammonium CAS Name: 3-(1-benzimidazolyl)propyl-[(2S)-octan-2-yl]ammonium IUPAC Name: 3-(benzimidazol-1-yl)propyl-[(2S)-octan-2-yl]azanium Traditional Name: 3-(benzimidazol-1-yl)propyl-[(1S)-1-methylheptyl]ammonium Formula: C18H30N3+ MolecularWeight: 288.4509

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)[NH2+]CCCN1C=NC2=CC=CC=C21

Isomeric SMILES

CCCCCC[C@H](C)[NH2+]CCCN1C=NC2=CC=CC=C21

InChI

InChI=1S/C18H29N3/c1-3-4-5-6-10-16(2)19-13-9-14-21-15-20-17-11-7-8-12-18(17)21/h7-8,11-12,15-16,19H,3-6,9-10,13-14H2,1-2H3/p+1/t16-/m0/s1