(3R)-1-[2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]ethanoyl]piperidine-3-carboxamide

Systemtic Name: (3R)-1-[2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]ethanoyl]piperidine-3-carboxamide Openeye Name: (3R)-1-[2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetyl]piperidine-3-carboxamide CAS Name: (3R)-1-[2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-3-piperidinecarboxamide IUPAC Name: (3R)-1-[2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetyl]piperidine-3-carboxamide Traditional Name: (3R)-1-[2-(4-o-phenetylpiperazin-1-ium-1-yl)acetyl]nipecotamide Formula: C20H31N4O3+ MolecularWeight: 375.48514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N3CCCC(C3)C(=O)N

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N3CCC[C@H](C3)C(=O)N

InChI

InChI=1S/C20H30N4O3/c1-2-27-18-8-4-3-7-17(18)23-12-10-22(11-13-23)15-19(25)24-9-5-6-16(14-24)20(21)26/h3-4,7-8,16H,2,5-6,9-15H2,1H3,(H2,21,26)/p+1/t16-/m1/s1