(2S)-2-(1-methylbenzimidazol-2-yl)-2-(2,3,4,5-tetrahydro-1H-azepin-1-ium-7-yl)ethanenitrile

Systemtic Name: (2S)-2-(1-methylbenzimidazol-2-yl)-2-(2,3,4,5-tetrahydro-1H-azepin-1-ium-7-yl)ethanenitrile Openeye Name: (2S)-2-(1-methylbenzimidazol-2-yl)-2-(2,3,4,5-tetrahydro-1H-azepin-1-ium-7-yl)acetonitrile CAS Name: (2S)-2-(1-methyl-2-benzimidazolyl)-2-(2,3,4,5-tetrahydro-1H-azepin-1-ium-7-yl)acetonitrile IUPAC Name: (2S)-2-(1-methylbenzimidazol-2-yl)-2-(2,3,4,5-tetrahydro-1H-azepin-1-ium-7-yl)acetonitrile Traditional Name: (2S)-2-(1-methylbenzimidazol-2-yl)-2-(2,3,4,5-tetrahydro-1H-azepin-1-ium-7-yl)acetonitrile Formula: C16H19N4+ MolecularWeight: 267.34886

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(C#N)C3=CCCCC[NH2+]3

Isomeric SMILES

CN1C2=CC=CC=C2N=C1[C@H](C#N)C3=CCCCC[NH2+]3

InChI

InChI=1S/C16H18N4/c1-20-15-9-5-4-8-14(15)19-16(20)12(11-17)13-7-3-2-6-10-18-13/h4-5,7-9,12,18H,2-3,6,10H2,1H3/p+1/t12-/m1/s1