[3-[4-(1-benzothiophen-2-yl)piperidin-1-yl]carbonylphenyl]methyl nitrate

Systemtic Name: [3-[4-(1-benzothiophen-2-yl)piperidin-1-yl]carbonylphenyl]methyl nitrate Openeye Name: [3-[4-(benzothiophen-2-yl)piperidine-1-carbonyl]phenyl]methyl nitrate CAS Name: nitric acid [3-[[4-(1-benzothiophen-2-yl)-1-piperidinyl]-oxomethyl]phenyl]methyl ester IUPAC Name: [3-[4-(1-benzothiophen-2-yl)piperidine-1-carbonyl]phenyl]methyl nitrate Traditional Name: nitric acid [3-[4-(benzothiophen-2-yl)piperidine-1-carbonyl]benzyl] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC3=CC=CC=C3S2)C(=O)C4=CC(=CC=C4)CO[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=CC3=CC=CC=C3S2)C(=O)C4=CC(=CC=C4)CO[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O4S/c24-21(18-6-3-4-15(12-18)14-27-23(25)26)22-10-8-16(9-11-22)20-13-17-5-1-2-7-19(17)28-20/h1-7,12-13,16H,8-11,14H2