[(1S)-1-(3-methoxyphenyl)-2-[(4-piperidin-1-ylphenyl)methylazaniumyl]ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(3-methoxyphenyl)-2-[(4-piperidin-1-ylphenyl)methylazaniumyl]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(3-methoxyphenyl)-2-[[4-(1-piperidyl)phenyl]methylammonio]ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(3-methoxyphenyl)-2-[[4-(1-piperidinyl)phenyl]methylammonio]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(3-methoxyphenyl)-2-[(4-piperidin-1-ylphenyl)methylazaniumyl]ethyl]-dimethylazanium Traditional Name: [(1S)-1-(3-methoxyphenyl)-2-[(4-piperidinobenzyl)ammonio]ethyl]-dimethyl-ammonium Formula: C23H35N3O+2 MolecularWeight: 369.5435

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(C[NH2+]CC1=CC=C(C=C1)N2CCCCC2)C3=CC(=CC=C3)OC

Isomeric SMILES

C[NH+](C)[C@H](C[NH2+]CC1=CC=C(C=C1)N2CCCCC2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C23H33N3O/c1-25(2)23(20-8-7-9-22(16-20)27-3)18-24-17-19-10-12-21(13-11-19)26-14-5-4-6-15-26/h7-13,16,23-24H,4-6,14-15,17-18H2,1-3H3/p+2/t23-/m1/s1