3,4-dihydro-1H-isoquinolin-2-yl-[1-[(4-nitrophenyl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(4-nitrophenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(4-nitrophenyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(4-nitrophenyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(4-nitrophenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-nitrobenzyl)piperidin-1-ium-3-yl]methanone Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CC(C[NH+](C1)CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H25N3O3/c26-22(24-13-11-18-4-1-2-5-19(18)16-24)20-6-3-12-23(15-20)14-17-7-9-21(10-8-17)25(27)28/h1-2,4-5,7-10,20H,3,6,11-16H2/p+1