(2R)-N-cyclopentyl-2-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]amino]propanamide

Systemtic Name: (2R)-N-cyclopentyl-2-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]amino]propanamide Openeye Name: (2R)-2-[4-(4-benzylpiperazin-4-ium-1-yl)anilino]-N-cyclopentyl-propanamide CAS Name: (2R)-N-cyclopentyl-2-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]anilino]propanamide IUPAC Name: (2R)-2-[4-(4-benzylpiperazin-4-ium-1-yl)anilino]-N-cyclopentylpropanamide Traditional Name: (2R)-2-[4-(4-benzylpiperazin-4-ium-1-yl)anilino]-N-cyclopentyl-propionamide Formula: C25H35N4O+ MolecularWeight: 407.5716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)NC1CCCC1)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H34N4O/c1-20(25(30)27-22-9-5-6-10-22)26-23-11-13-24(14-12-23)29-17-15-28(16-18-29)19-21-7-3-2-4-8-21/h2-4,7-8,11-14,20,22,26H,5-6,9-10,15-19H2,1H3,(H,27,30)/p+1/t20-/m1/s1