methyl (3S)-2-[2-[(2R)-2-ethylpiperidin-1-ium-1-yl]ethanoyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate

Systemtic Name: methyl (3S)-2-[2-[(2R)-2-ethylpiperidin-1-ium-1-yl]ethanoyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate Openeye Name: methyl (3S)-2-[2-[(2R)-2-ethylpiperidin-1-ium-1-yl]acetyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate CAS Name: (3S)-2-[2-[(2R)-2-ethyl-1-piperidin-1-iumyl]-1-oxoethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid methyl ester IUPAC Name: methyl (3S)-2-[2-[(2R)-2-ethylpiperidin-1-ium-1-yl]acetyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate Traditional Name: (3S)-2-[2-[(2R)-2-ethylpiperidin-1-ium-1-yl]acetyl]-1,3,4,9-tetrahydro-$b-carboline-3-carboxylic acid methyl ester Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC(=O)N2CC3=C(CC2C(=O)OC)C4=CC=CC=C4N3

Isomeric SMILES

CC[C@@H]1CCCC[NH+]1CC(=O)N2CC3=C(C[C@H]2C(=O)OC)C4=CC=CC=C4N3

InChI

InChI=1S/C22H29N3O3/c1-3-15-8-6-7-11-24(15)14-21(26)25-13-19-17(12-20(25)22(27)28-2)16-9-4-5-10-18(16)23-19/h4-5,9-10,15,20,23H,3,6-8,11-14H2,1-2H3/p+1/t15-,20+/m1/s1