(3R)-4-(naphthalen-2-ylmethyl)-3-[2-oxidanylidene-2-(4-pyrrolidin-1-ium-1-ylpiperidin-1-yl)ethyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-4-(naphthalen-2-ylmethyl)-3-[2-oxidanylidene-2-(4-pyrrolidin-1-ium-1-ylpiperidin-1-yl)ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-4-(2-naphthylmethyl)-3-[2-oxo-2-(4-pyrrolidin-1-ium-1-yl-1-piperidyl)ethyl]piperazin-4-ium-2-one CAS Name: (3R)-4-(2-naphthalenylmethyl)-3-[2-oxo-2-[4-(1-pyrrolidin-1-iumyl)-1-piperidinyl]ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-(naphthalen-2-ylmethyl)-3-[2-oxo-2-(4-pyrrolidin-1-ium-1-ylpiperidin-1-yl)ethyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-keto-2-(4-pyrrolidin-1-ium-1-ylpiperidino)ethyl]-4-(2-naphthylmethyl)piperazin-4-ium-2-one Formula: C26H36N4O2+2 MolecularWeight: 436.58964

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C2CCN(CC2)C(=O)CC3C(=O)NCC[NH+]3CC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CC[NH+](C1)C2CCN(CC2)C(=O)C[C@@H]3C(=O)NCC[NH+]3CC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C26H34N4O2/c31-25(29-14-9-23(10-15-29)28-12-3-4-13-28)18-24-26(32)27-11-16-30(24)19-20-7-8-21-5-1-2-6-22(21)17-20/h1-2,5-8,17,23-24H,3-4,9-16,18-19H2,(H,27,32)/p+2/t24-/m1/s1