1-[4-[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-1-ium-3-yl]piperidin-1-yl]pent-4-en-1-one

Systemtic Name: 1-[4-[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-1-ium-3-yl]piperidin-1-yl]pent-4-en-1-one Openeye Name: 1-[4-[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-1-ium-3-yl]-1-piperidyl]pent-4-en-1-one CAS Name: 1-[4-[(3R)-1-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-iumyl]-1-piperidinyl]-4-penten-1-one IUPAC Name: 1-[4-[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-1-ium-3-yl]piperidin-1-yl]pent-4-en-1-one Traditional Name: 1-[4-[(3R)-1-(4-chlorobenzyl)pyrrolidin-1-ium-3-yl]piperidino]pent-4-en-1-one Formula: C21H30ClN2O+ MolecularWeight: 361.9287

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC(=O)N1CCC(CC1)C2CC[NH+](C2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C=CCCC(=O)N1CCC(CC1)[C@H]2CC[NH+](C2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H29ClN2O/c1-2-3-4-21(25)24-13-10-18(11-14-24)19-9-12-23(16-19)15-17-5-7-20(22)8-6-17/h2,5-8,18-19H,1,3-4,9-16H2/p+1/t19-/m0/s1