ethyl 4-[(3S)-1-(1-methylindol-2-yl)carbonylpiperidin-3-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-(1-methylindol-2-yl)carbonylpiperidin-3-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-(1-methylindole-2-carbonyl)-3-piperidyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3S)-1-[(1-methyl-2-indolyl)-oxomethyl]-3-piperidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-(1-methylindole-2-carbonyl)piperidin-3-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3S)-1-(1-methylindole-2-carbonyl)-3-piperidyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C22H31N4O3+ MolecularWeight: 399.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C2CCCN(C2)C(=O)C3=CC4=CC=CC=C4N3C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H]2CCCN(C2)C(=O)C3=CC4=CC=CC=C4N3C

InChI

InChI=1S/C22H30N4O3/c1-3-29-22(28)25-13-11-24(12-14-25)18-8-6-10-26(16-18)21(27)20-15-17-7-4-5-9-19(17)23(20)2/h4-5,7,9,15,18H,3,6,8,10-14,16H2,1-2H3/p+1/t18-/m0/s1