(3S)-N-(3-methyl-5-nitro-imidazol-4-yl)-1-(phenylmethyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(3-methyl-5-nitro-imidazol-4-yl)-1-(phenylmethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-1-benzyl-N-(3-methyl-5-nitro-imidazol-4-yl)piperidin-1-ium-3-amine CAS Name: (3S)-N-(3-methyl-5-nitro-4-imidazolyl)-1-(phenylmethyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-1-benzyl-N-(3-methyl-5-nitroimidazol-4-yl)piperidin-1-ium-3-amine Traditional Name: [(3S)-1-benzylpiperidin-1-ium-3-yl]-(3-methyl-5-nitro-imidazol-4-yl)amine Formula: C16H22N5O2+ MolecularWeight: 316.37818

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1NC2CCC[NH+](C2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1N[C@H]2CCC[NH+](C2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O2/c1-19-12-17-15(21(22)23)16(19)18-14-8-5-9-20(11-14)10-13-6-3-2-4-7-13/h2-4,6-7,12,14,18H,5,8-11H2,1H3/p+1/t14-/m0/s1