1-(5-chloranyl-2-nitro-phenyl)-1-(1-phenylcycloheptyl)piperidin-1-ium-4-amine

Systemtic Name: 1-(5-chloranyl-2-nitro-phenyl)-1-(1-phenylcycloheptyl)piperidin-1-ium-4-amine Openeye Name: 1-(5-chloro-2-nitro-phenyl)-1-(1-phenylcycloheptyl)piperidin-1-ium-4-amine CAS Name: 1-(5-chloro-2-nitrophenyl)-1-(1-phenylcycloheptyl)-4-piperidin-1-iumamine IUPAC Name: 1-(5-chloro-2-nitrophenyl)-1-(1-phenylcycloheptyl)piperidin-1-ium-4-amine Traditional Name: [1-(5-chloro-2-nitro-phenyl)-1-(1-phenylcycloheptyl)piperidin-1-ium-4-yl]amine Formula: C24H31ClN3O2+ MolecularWeight: 428.97484

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C2=CC=CC=C2)[N+]3(CCC(CC3)N)C4=C(C=CC(=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CC1)(C2=CC=CC=C2)[N+]3(CCC(CC3)N)C4=C(C=CC(=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C24H31ClN3O2/c25-20-10-11-22(27(29)30)23(18-20)28(16-12-21(26)13-17-28)24(14-6-1-2-7-15-24)19-8-4-3-5-9-19/h3-5,8-11,18,21H,1-2,6-7,12-17,26H2/q+1