1,3-dimethyl-4-(3-nitrophenyl)-5-piperazin-1-yl-1-(1H-pyrrol-2-ylmethyl)piperidin-1-ium-2-one

Systemtic Name: 1,3-dimethyl-4-(3-nitrophenyl)-5-piperazin-1-yl-1-(1H-pyrrol-2-ylmethyl)piperidin-1-ium-2-one Openeye Name: 1,3-dimethyl-4-(3-nitrophenyl)-5-piperazin-1-yl-1-(1H-pyrrol-2-ylmethyl)piperidin-1-ium-2-one CAS Name: 1,3-dimethyl-4-(3-nitrophenyl)-5-(1-piperazinyl)-1-(1H-pyrrol-2-ylmethyl)-2-piperidin-1-iumone IUPAC Name: 1,3-dimethyl-4-(3-nitrophenyl)-5-piperazin-1-yl-1-(1H-pyrrol-2-ylmethyl)piperidin-1-ium-2-one Traditional Name: 1,3-dimethyl-4-(3-nitrophenyl)-5-piperazino-1-(1H-pyrrol-2-ylmethyl)piperidin-1-ium-2-one Formula: C22H30N5O3+ MolecularWeight: 412.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C[N+](C1=O)(C)CC2=CC=CN2)N3CCNCC3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1C(C(C[N+](C1=O)(C)CC2=CC=CN2)N3CCNCC3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H30N5O3/c1-16-21(17-5-3-7-19(13-17)26(29)30)20(25-11-9-23-10-12-25)15-27(2,22(16)28)14-18-6-4-8-24-18/h3-8,13,16,20-21,23-24H,9-12,14-15H2,1-2H3/q+1