(2S)-N-[(2S)-butan-2-yl]-8-(3-nitrophenyl)carbonyl-4-thia-8-aza-1-azoniaspiro[4.5]decane-2-carboxamide

Systemtic Name: (2S)-N-[(2S)-butan-2-yl]-8-(3-nitrophenyl)carbonyl-4-thia-8-aza-1-azoniaspiro[4.5]decane-2-carboxamide Openeye Name: (2S)-N-[(1S)-1-methylpropyl]-8-(3-nitrobenzoyl)-4-thia-8-aza-1-azoniaspiro[4.5]decane-2-carboxamide CAS Name: (2S)-N-[(2S)-butan-2-yl]-8-[(3-nitrophenyl)-oxomethyl]-4-thia-8-aza-1-azoniaspiro[4.5]decane-2-carboxamide IUPAC Name: (2S)-N-[(2S)-butan-2-yl]-8-(3-nitrobenzoyl)-4-thia-8-aza-1-azoniaspiro[4.5]decane-2-carboxamide Traditional Name: (2S)-N-[(1S)-1-methylpropyl]-8-(3-nitrobenzoyl)-4-thia-8-aza-1-azoniaspiro[4.5]decane-2-carboxamide Formula: C19H27N4O4S+ MolecularWeight: 407.50708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1CSC2([NH2+]1)CCN(CC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)NC(=O)[C@H]1CSC2([NH2+]1)CCN(CC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H26N4O4S/c1-3-13(2)20-17(24)16-12-28-19(21-16)7-9-22(10-8-19)18(25)14-5-4-6-15(11-14)23(26)27/h4-6,11,13,16,21H,3,7-10,12H2,1-2H3,(H,20,24)/p+1/t13-,16+/m0/s1