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

Systemtic Name: [4-[4-(1-benzothiophen-2-yl)piperidin-1-yl]carbonylphenyl]methyl nitrate Openeye Name: [4-[4-(benzothiophen-2-yl)piperidine-1-carbonyl]phenyl]methyl nitrate CAS Name: nitric acid [4-[[4-(1-benzothiophen-2-yl)-1-piperidinyl]-oxomethyl]phenyl]methyl ester IUPAC Name: [4-[4-(1-benzothiophen-2-yl)piperidine-1-carbonyl]phenyl]methyl nitrate Traditional Name: nitric acid [4-[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=C(C=C4)CO[N+](=O)[O-]

Isomeric SMILES

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

InChI

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