[1-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-(2-thiophen-2-ylethyl)azanium

Systemtic Name: [1-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-(2-thiophen-2-ylethyl)azanium Openeye Name: [1-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-4-piperidyl]-[2-(2-thienyl)ethyl]ammonium CAS Name: [1-[4-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-4-piperidinyl]-(2-thiophen-2-ylethyl)ammonium IUPAC Name: [1-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-(2-thiophen-2-ylethyl)azanium Traditional Name: [1-[4-(piperonylcarbamoyl)phenyl]-4-piperidyl]-[2-(2-thienyl)ethyl]ammonium Formula: C26H30N3O3S+ MolecularWeight: 464.5997

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]CCC2=CC=CS2)C3=CC=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1[NH2+]CCC2=CC=CS2)C3=CC=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H29N3O3S/c30-26(28-17-19-3-8-24-25(16-19)32-18-31-24)20-4-6-22(7-5-20)29-13-10-21(11-14-29)27-12-9-23-2-1-15-33-23/h1-8,15-16,21,27H,9-14,17-18H2,(H,28,30)/p+1