2-(2-methylbenzimidazol-1-yl)ethyl-[(3S,5S)-5-methylheptan-3-yl]azanium

Systemtic Name: 2-(2-methylbenzimidazol-1-yl)ethyl-[(3S,5S)-5-methylheptan-3-yl]azanium Openeye Name: [(1S,3S)-1-ethyl-3-methyl-pentyl]-[2-(2-methylbenzimidazol-1-yl)ethyl]ammonium CAS Name: 2-(2-methyl-1-benzimidazolyl)ethyl-[(3S,5S)-5-methylheptan-3-yl]ammonium IUPAC Name: 2-(2-methylbenzimidazol-1-yl)ethyl-[(3S,5S)-5-methylheptan-3-yl]azanium Traditional Name: [(1S,3S)-1-ethyl-3-methyl-pentyl]-[2-(2-methylbenzimidazol-1-yl)ethyl]ammonium Formula: C18H30N3+ MolecularWeight: 288.4509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3/c1-5-14(3)13-16(6-2)19-11-12-21-15(4)20-17-9-7-8-10-18(17)21/h7-10,14,16,19H,5-6,11-13H2,1-4H3/p+1/t14-,16-/m0/s1