butanedioate; 1-[(2S)-3-(1H-indol-1-ium-4-yloxy)-2-oxidanyl-propyl]-4-(3-methoxyphenyl)piperidin-1-ium-4-ol

Systemtic Name: butanedioate; 1-[(2S)-3-(1H-indol-1-ium-4-yloxy)-2-oxidanyl-propyl]-4-(3-methoxyphenyl)piperidin-1-ium-4-ol Openeye Name: butanedioate; 1-[(2S)-2-hydroxy-3-(1H-indol-1-ium-4-yloxy)propyl]-4-(3-methoxyphenyl)piperidin-1-ium-4-ol CAS Name: butanedioate; 1-[(2S)-2-hydroxy-3-(1H-indol-1-ium-4-yloxy)propyl]-4-(3-methoxyphenyl)-4-piperidin-1-iumol IUPAC Name: butanedioate; 1-[(2S)-2-hydroxy-3-(1H-indol-1-ium-4-yloxy)propyl]-4-(3-methoxyphenyl)piperidin-1-ium-4-ol Traditional Name: 1-[(2S)-2-hydroxy-3-(1H-indol-1-ium-4-yloxy)propyl]-4-(3-methoxyphenyl)piperidin-1-ium-4-ol; succinate Formula: C27H34N2O8 MolecularWeight: 514.56746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(CC[NH+](CC2)CC(COC3=CC=CC4=C3C=C[NH2+]4)O)O.C(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C2(CC[NH+](CC2)C[C@@H](COC3=CC=CC4=C3C=C[NH2+]4)O)O.C(CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C23H28N2O4.C4H6O4/c1-28-19-5-2-4-17(14-19)23(27)9-12-25(13-10-23)15-18(26)16-29-22-7-3-6-21-20(22)8-11-24-21;5-3(6)1-2-4(7)8/h2-8,11,14,18,24,26-27H,9-10,12-13,15-16H2,1H3;1-2H2,(H,5,6)(H,7,8)/t18-;/m0./s1