2-(5-methoxy-1H-indol-3-yl)ethyl-[(3S,4S)-3-phenyl-1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: 2-(5-methoxy-1H-indol-3-yl)ethyl-[(3S,4S)-3-phenyl-1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: [(3S,4S)-1-benzyl-3-phenyl-piperidin-1-ium-4-yl]-[2-(5-methoxy-1H-indol-3-yl)ethyl]ammonium CAS Name: 2-(5-methoxy-1H-indol-3-yl)ethyl-[(3S,4S)-3-phenyl-1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: [(3S,4S)-1-benzyl-3-phenylpiperidin-1-ium-4-yl]-[2-(5-methoxy-1H-indol-3-yl)ethyl]azanium Traditional Name: [(3S,4S)-1-benzyl-3-phenyl-piperidin-1-ium-4-yl]-[2-(5-methoxy-1H-indol-3-yl)ethyl]ammonium Formula: C29H35N3O+2 MolecularWeight: 441.6077

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2CC[NH2+]C3CC[NH+](CC3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2CC[NH2+][C@H]3CC[NH+](C[C@@H]3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C29H33N3O/c1-33-25-12-13-28-26(18-25)24(19-31-28)14-16-30-29-15-17-32(20-22-8-4-2-5-9-22)21-27(29)23-10-6-3-7-11-23/h2-13,18-19,27,29-31H,14-17,20-21H2,1H3/p+2/t27-,29+/m1/s1