(2R)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-(pyridin-1-ium-2-ylamino)propan-1-one

Systemtic Name: (2R)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-(pyridin-1-ium-2-ylamino)propan-1-one Openeye Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(pyridin-1-ium-2-ylamino)propan-1-one CAS Name: (2R)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-(2-pyridin-1-iumylamino)-1-propanone IUPAC Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(pyridin-1-ium-2-ylamino)propan-1-one Traditional Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(pyridin-1-ium-2-ylamino)propan-1-one Formula: C19H26N4O+2 MolecularWeight: 326.43594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)NC3=CC=CC=[NH+]3

Isomeric SMILES

C[C@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)NC3=CC=CC=[NH+]3

InChI

InChI=1S/C19H24N4O/c1-16(21-18-9-5-6-10-20-18)19(24)23-13-11-22(12-14-23)15-17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3,(H,20,21)/p+2/t16-/m1/s1