(5R)-5-[4-(phenylmethyl)piperazin-1-ium-1-yl]-1-prop-2-enyl-azepan-2-one

Systemtic Name: (5R)-5-[4-(phenylmethyl)piperazin-1-ium-1-yl]-1-prop-2-enyl-azepan-2-one Openeye Name: (5R)-1-allyl-5-(4-benzylpiperazin-1-ium-1-yl)azepan-2-one CAS Name: (5R)-5-[4-(phenylmethyl)-1-piperazin-1-iumyl]-1-prop-2-enyl-2-azepanone IUPAC Name: (5R)-5-(4-benzylpiperazin-1-ium-1-yl)-1-prop-2-enylazepan-2-one Traditional Name: (5R)-1-allyl-5-(4-benzylpiperazin-1-ium-1-yl)azepan-2-one Formula: C20H30N3O+ MolecularWeight: 328.4717

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CCC(CCC1=O)[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

C=CCN1CC[C@@H](CCC1=O)[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H29N3O/c1-2-11-23-12-10-19(8-9-20(23)24)22-15-13-21(14-16-22)17-18-6-4-3-5-7-18/h2-7,19H,1,8-17H2/p+1/t19-/m1/s1