3-[(3S,4R)-1-(phenylmethyl)-4-pyrrolidin-1-yl-piperidin-1-ium-3-yl]-N-(2-piperidin-1-ium-1-ylethyl)propanamide

Systemtic Name: 3-[(3S,4R)-1-(phenylmethyl)-4-pyrrolidin-1-yl-piperidin-1-ium-3-yl]-N-(2-piperidin-1-ium-1-ylethyl)propanamide Openeye Name: 3-[(3S,4R)-1-benzyl-4-pyrrolidin-1-yl-piperidin-1-ium-3-yl]-N-(2-piperidin-1-ium-1-ylethyl)propanamide CAS Name: 3-[(3S,4R)-1-(phenylmethyl)-4-(1-pyrrolidinyl)-3-piperidin-1-iumyl]-N-[2-(1-piperidin-1-iumyl)ethyl]propanamide IUPAC Name: 3-[(3S,4R)-1-benzyl-4-pyrrolidin-1-ylpiperidin-1-ium-3-yl]-N-(2-piperidin-1-ium-1-ylethyl)propanamide Traditional Name: 3-[(3S,4R)-1-benzyl-4-pyrrolidino-piperidin-1-ium-3-yl]-N-(2-piperidin-1-ium-1-ylethyl)propionamide Formula: C26H44N4O+2 MolecularWeight: 428.65376

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCNC(=O)CCC2C[NH+](CCC2N3CCCC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CCNC(=O)CC[C@H]2C[NH+](CC[C@H]2N3CCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H42N4O/c31-26(27-14-20-28-15-5-2-6-16-28)12-11-24-22-29(21-23-9-3-1-4-10-23)19-13-25(24)30-17-7-8-18-30/h1,3-4,9-10,24-25H,2,5-8,11-22H2,(H,27,31)/p+2/t24-,25+/m0/s1