(3S)-1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-3-pyrrolidin-1-yl-piperidin-1-ium

Systemtic Name: (3S)-1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-3-pyrrolidin-1-yl-piperidin-1-ium Openeye Name: (3S)-1-[(4-benzyloxy-3-methoxy-phenyl)methyl]-3-pyrrolidin-1-yl-piperidin-1-ium CAS Name: (3S)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-(1-pyrrolidinyl)piperidin-1-ium IUPAC Name: (3S)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidin-1-ium Traditional Name: (3S)-1-(4-benzoxy-3-methoxy-benzyl)-3-pyrrolidino-piperidin-1-ium Formula: C24H33N2O2+ MolecularWeight: 381.53102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCCC(C2)N3CCCC3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCC[C@@H](C2)N3CCCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H32N2O2/c1-27-24-16-21(11-12-23(24)28-19-20-8-3-2-4-9-20)17-25-13-7-10-22(18-25)26-14-5-6-15-26/h2-4,8-9,11-12,16,22H,5-7,10,13-15,17-19H2,1H3/p+1/t22-/m0/s1