N-(3,4-dimethoxyphenyl)-3-[(3S,4R)-1-(phenylmethyl)-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium-3-yl]propanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-3-[(3S,4R)-1-(phenylmethyl)-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium-3-yl]propanamide Openeye Name: 3-[(3S,4R)-1-benzyl-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium-3-yl]-N-(3,4-dimethoxyphenyl)propanamide CAS Name: N-(3,4-dimethoxyphenyl)-3-[(3S,4R)-1-(phenylmethyl)-4-(1-pyrrolidin-1-iumyl)-3-piperidin-1-iumyl]propanamide IUPAC Name: 3-[(3S,4R)-1-benzyl-4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-3-yl]-N-(3,4-dimethoxyphenyl)propanamide Traditional Name: 3-[(3S,4R)-1-benzyl-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium-3-yl]-N-(3,4-dimethoxyphenyl)propionamide Formula: C27H39N3O3+2 MolecularWeight: 453.61686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CCC2C[NH+](CCC2[NH+]3CCCC3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CC[C@H]2C[NH+](CC[C@H]2[NH+]3CCCC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C27H37N3O3/c1-32-25-12-11-23(18-26(25)33-2)28-27(31)13-10-22-20-29(19-21-8-4-3-5-9-21)17-14-24(22)30-15-6-7-16-30/h3-5,8-9,11-12,18,22,24H,6-7,10,13-17,19-20H2,1-2H3,(H,28,31)/p+2/t22-,24+/m0/s1