[(2R)-2-(4-ethoxy-3-methoxy-phenyl)-2-(1H-indol-3-yl)ethyl]-(1-propylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [(2R)-2-(4-ethoxy-3-methoxy-phenyl)-2-(1H-indol-3-yl)ethyl]-(1-propylpiperidin-1-ium-4-yl)azanium Openeye Name: [(2R)-2-(4-ethoxy-3-methoxy-phenyl)-2-(1H-indol-3-yl)ethyl]-(1-propylpiperidin-1-ium-4-yl)ammonium CAS Name: [(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-(1-propyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-(1-propylpiperidin-1-ium-4-yl)azanium Traditional Name: [(2R)-2-(4-ethoxy-3-methoxy-phenyl)-2-(1H-indol-3-yl)ethyl]-(1-propylpiperidin-1-ium-4-yl)ammonium Formula: C27H39N3O2+2 MolecularWeight: 437.61746

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)[NH2+]CC(C2=CC(=C(C=C2)OCC)OC)C3=CNC4=CC=CC=C43

Isomeric SMILES

CCC[NH+]1CCC(CC1)[NH2+]C[C@H](C2=CC(=C(C=C2)OCC)OC)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C27H37N3O2/c1-4-14-30-15-12-21(13-16-30)28-18-23(24-19-29-25-9-7-6-8-22(24)25)20-10-11-26(32-5-2)27(17-20)31-3/h6-11,17,19,21,23,28-29H,4-5,12-16,18H2,1-3H3/p+2/t23-/m1/s1