ethyl 4-[(3S)-1-[3-(1,3-benzodioxol-5-yl)propanoyl]piperidin-3-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-[3-(1,3-benzodioxol-5-yl)propanoyl]piperidin-3-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-[3-(1,3-benzodioxol-5-yl)propanoyl]-3-piperidyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3S)-1-[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]-3-piperidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-[3-(1,3-benzodioxol-5-yl)propanoyl]piperidin-3-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3S)-1-[3-(1,3-benzodioxol-5-yl)propanoyl]-3-piperidyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C22H32N3O5+ MolecularWeight: 418.50658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C2CCCN(C2)C(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H]2CCCN(C2)C(=O)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H31N3O5/c1-2-28-22(27)24-12-10-23(11-13-24)18-4-3-9-25(15-18)21(26)8-6-17-5-7-19-20(14-17)30-16-29-19/h5,7,14,18H,2-4,6,8-13,15-16H2,1H3/p+1/t18-/m0/s1