3-[1-(4-methoxyphenyl)carbonylpiperidin-4-yl]-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]propanamide

Systemtic Name: 3-[1-(4-methoxyphenyl)carbonylpiperidin-4-yl]-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]propanamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[1-(4-methoxybenzoyl)-4-piperidyl]propanamide CAS Name: 3-[1-[(4-methoxyphenyl)-oxomethyl]-4-piperidinyl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]propanamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[1-(4-methoxybenzoyl)piperidin-4-yl]propanamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(1-p-anisoyl-4-piperidyl)propionamide Formula: C27H36N3O3+ MolecularWeight: 450.59304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCC(CC2)CCC(=O)NC3CC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCC(CC2)CCC(=O)N[C@H]3CC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H35N3O3/c1-33-25-10-8-23(9-11-25)27(32)30-17-13-21(14-18-30)7-12-26(31)28-24-15-16-29(20-24)19-22-5-3-2-4-6-22/h2-6,8-11,21,24H,7,12-20H2,1H3,(H,28,31)/p+1/t24-/m0/s1