ethyl 4-[(3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate CAS Name: 4-[(3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-3-piperidin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylic acid ethyl ester Formula: C23H35N4O3+ MolecularWeight: 415.549

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCC[NH+](C2)CC3=C(C4=C(N3)C=CC(=C4)OC)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H]2CCC[NH+](C2)CC3=C(C4=C(N3)C=CC(=C4)OC)C

InChI

InChI=1S/C23H34N4O3/c1-4-30-23(28)27-12-10-26(11-13-27)18-6-5-9-25(15-18)16-22-17(2)20-14-19(29-3)7-8-21(20)24-22/h7-8,14,18,24H,4-6,9-13,15-16H2,1-3H3/p+1/t18-/m0/s1