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(2S)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-phenyl-pentanamide
(2S)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-phenyl-pentanamide
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Descriptors Computed from Structure
Canonical SMILES:
CCCC(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)C
Isomeric SMILES
CCC[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)C
InChI
InChI=1S/C22H29N3O/c1-3-7-21(18-8-5-4-6-9-18)22(26)23-19-10-12-20(13-11-19)25-16-14-24(2)15-17-25/h4-6,8-13,21H,3,7,14-17H2,1-2H3,(H,23,26)/p+1/t21-/m0/s1
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