2-(2-methylbenzimidazol-1-yl)ethyl-[(2S)-octan-2-yl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)[NH2+]CCN1C(=NC2=CC=CC=C21)C

Isomeric SMILES

CCCCCC[C@H](C)[NH2+]CCN1C(=NC2=CC=CC=C21)C

InChI

InChI=1S/C18H29N3/c1-4-5-6-7-10-15(2)19-13-14-21-16(3)20-17-11-8-9-12-18(17)21/h8-9,11-12,15,19H,4-7,10,13-14H2,1-3H3/p+1/t15-/m0/s1