ethyl 4-[(3S)-1-(1H-indol-5-ylcarbonyl)piperidin-3-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-(1H-indol-5-ylcarbonyl)piperidin-3-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-(1H-indole-5-carbonyl)-3-piperidyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3S)-1-[1H-indol-5-yl(oxo)methyl]-3-piperidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-(1H-indole-5-carbonyl)piperidin-3-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3S)-1-(1H-indole-5-carbonyl)-3-piperidyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C21H29N4O3+ MolecularWeight: 385.47996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C2CCCN(C2)C(=O)C3=CC4=C(C=C3)NC=C4

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H]2CCCN(C2)C(=O)C3=CC4=C(C=C3)NC=C4

InChI

InChI=1S/C21H28N4O3/c1-2-28-21(27)24-12-10-23(11-13-24)18-4-3-9-25(15-18)20(26)17-5-6-19-16(14-17)7-8-22-19/h5-8,14,18,22H,2-4,9-13,15H2,1H3/p+1/t18-/m0/s1