[4-(dimethylamino)-3-nitro-phenyl]methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: [4-(dimethylamino)-3-nitro-phenyl]methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[[4-(dimethylamino)-3-nitro-phenyl]methyl]ammonium CAS Name: [4-(dimethylamino)-3-nitrophenyl]methyl-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[[4-(dimethylamino)-3-nitrophenyl]methyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[4-(dimethylamino)-3-nitro-benzyl]ammonium Formula: C21H30N4O2+2 MolecularWeight: 370.4885

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O2/c1-23(2)20-9-8-18(14-21(20)25(26)27)15-22-19-10-12-24(13-11-19)16-17-6-4-3-5-7-17/h3-9,14,19,22H,10-13,15-16H2,1-2H3/p+2