[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl-[(4-nitrophenyl)methyl]azanium

Systemtic Name: [1-(3,4-dimethoxyphenyl)cyclopentyl]methyl-[(4-nitrophenyl)methyl]azanium Openeye Name: [1-(3,4-dimethoxyphenyl)cyclopentyl]methyl-[(4-nitrophenyl)methyl]ammonium CAS Name: [1-(3,4-dimethoxyphenyl)cyclopentyl]methyl-[(4-nitrophenyl)methyl]ammonium IUPAC Name: [1-(3,4-dimethoxyphenyl)cyclopentyl]methyl-[(4-nitrophenyl)methyl]azanium Traditional Name: [1-(3,4-dimethoxyphenyl)cyclopentyl]methyl-(4-nitrobenzyl)ammonium Formula: C21H27N2O4+ MolecularWeight: 371.45008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCCC2)C[NH2+]CC3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCCC2)C[NH2+]CC3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H26N2O4/c1-26-19-10-7-17(13-20(19)27-2)21(11-3-4-12-21)15-22-14-16-5-8-18(9-6-16)23(24)25/h5-10,13,22H,3-4,11-12,14-15H2,1-2H3/p+1