ethyl 4-[(3S)-1-[2-(2-methoxyphenyl)ethanoyl]piperidin-3-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-[2-(2-methoxyphenyl)ethanoyl]piperidin-3-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-[2-(2-methoxyphenyl)acetyl]-3-piperidyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3S)-1-[2-(2-methoxyphenyl)-1-oxoethyl]-3-piperidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3S)-1-[2-(2-methoxyphenyl)acetyl]-3-piperidyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C21H32N3O4+ MolecularWeight: 390.49648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C2CCCN(C2)C(=O)CC3=CC=CC=C3OC

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H]2CCCN(C2)C(=O)CC3=CC=CC=C3OC

InChI

InChI=1S/C21H31N3O4/c1-3-28-21(26)23-13-11-22(12-14-23)18-8-6-10-24(16-18)20(25)15-17-7-4-5-9-19(17)27-2/h4-5,7,9,18H,3,6,8,10-16H2,1-2H3/p+1/t18-/m0/s1