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

Systemtic Name: [1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone Openeye Name: [1-[(4-benzyloxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone CAS Name: [1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumyl]-(1-pyrrolidinyl)methanone IUPAC Name: [1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]-pyrrolidin-1-ylmethanone Traditional Name: [1-(4-benzoxy-3-methoxy-benzyl)piperidin-1-ium-4-yl]-pyrrolidino-methanone Formula: C25H33N2O3+ MolecularWeight: 409.54112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)N3CCCC3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)N3CCCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H32N2O3/c1-29-24-17-21(9-10-23(24)30-19-20-7-3-2-4-8-20)18-26-15-11-22(12-16-26)25(28)27-13-5-6-14-27/h2-4,7-10,17,22H,5-6,11-16,18-19H2,1H3/p+1