(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-propyl-piperidine-1-carboxamide

Systemtic Name: (3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-propyl-piperidine-1-carboxamide Openeye Name: (3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-propyl-piperidine-1-carboxamide CAS Name: (3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-N-propyl-1-piperidinecarboxamide IUPAC Name: (3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-propylpiperidine-1-carboxamide Traditional Name: (3S)-3-(4-piperonylpiperazin-1-ium-1-yl)-N-propyl-piperidine-1-carboxamide Formula: C21H33N4O3+ MolecularWeight: 389.51172

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCCC(C1)[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCNC(=O)N1CCC[C@@H](C1)[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H32N4O3/c1-2-7-22-21(26)25-8-3-4-18(15-25)24-11-9-23(10-12-24)14-17-5-6-19-20(13-17)28-16-27-19/h5-6,13,18H,2-4,7-12,14-16H2,1H3,(H,22,26)/p+1/t18-/m0/s1