(2R)-2-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]amino]-1-piperidin-1-yl-propan-1-one

Systemtic Name: (2R)-2-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]amino]-1-piperidin-1-yl-propan-1-one Openeye Name: (2R)-2-[4-(4-benzylpiperazin-4-ium-1-yl)anilino]-1-(1-piperidyl)propan-1-one CAS Name: (2R)-2-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]anilino]-1-(1-piperidinyl)-1-propanone IUPAC Name: (2R)-2-[4-(4-benzylpiperazin-4-ium-1-yl)anilino]-1-piperidin-1-ylpropan-1-one Traditional Name: (2R)-2-[4-(4-benzylpiperazin-4-ium-1-yl)anilino]-1-piperidino-propan-1-one Formula: C25H35N4O+ MolecularWeight: 407.5716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCC1)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)N1CCCCC1)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H34N4O/c1-21(25(30)29-14-6-3-7-15-29)26-23-10-12-24(13-11-23)28-18-16-27(17-19-28)20-22-8-4-2-5-9-22/h2,4-5,8-13,21,26H,3,6-7,14-20H2,1H3/p+1/t21-/m1/s1