methyl-[(1S)-2-phenyl-1-[1-(4-propan-2-yloxyphenyl)carbonylpiperidin-4-yl]ethyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: methyl-[(1S)-2-phenyl-1-[1-(4-propan-2-yloxyphenyl)carbonylpiperidin-4-yl]ethyl]-(pyridin-3-ylmethyl)azanium Openeye Name: [(1S)-1-[1-(4-isopropoxybenzoyl)-4-piperidyl]-2-phenyl-ethyl]-methyl-(3-pyridylmethyl)ammonium CAS Name: methyl-[(1S)-1-[1-[oxo-(4-propan-2-yloxyphenyl)methyl]-4-piperidinyl]-2-phenylethyl]-(3-pyridinylmethyl)ammonium IUPAC Name: methyl-[(1S)-2-phenyl-1-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]ethyl]-(pyridin-3-ylmethyl)azanium Traditional Name: [(1S)-1-[1-(4-isopropoxybenzoyl)-4-piperidyl]-2-phenyl-ethyl]-methyl-(3-pyridylmethyl)ammonium Formula: C30H38N3O2+ MolecularWeight: 472.64162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)N2CCC(CC2)C(CC3=CC=CC=C3)[NH+](C)CC4=CN=CC=C4

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)N2CCC(CC2)[C@H](CC3=CC=CC=C3)[NH+](C)CC4=CN=CC=C4

InChI

InChI=1S/C30H37N3O2/c1-23(2)35-28-13-11-27(12-14-28)30(34)33-18-15-26(16-19-33)29(20-24-8-5-4-6-9-24)32(3)22-25-10-7-17-31-21-25/h4-14,17,21,23,26,29H,15-16,18-20,22H2,1-3H3/p+1/t29-/m0/s1