(2S)-2-(4-methoxyphenoxy)-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]butanamide

Systemtic Name: (2S)-2-(4-methoxyphenoxy)-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]butanamide Openeye Name: (2S)-2-(4-methoxyphenoxy)-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]butanamide CAS Name: (2S)-2-(4-methoxyphenoxy)-N-[3-(4-methyl-1-piperazin-4-iumyl)propyl]butanamide IUPAC Name: (2S)-2-(4-methoxyphenoxy)-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]butanamide Traditional Name: (2S)-2-(4-methoxyphenoxy)-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]butyramide Formula: C19H32N3O3+ MolecularWeight: 350.47568

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCCN1CC[NH+](CC1)C)OC2=CC=C(C=C2)OC

Isomeric SMILES

CC[C@@H](C(=O)NCCCN1CC[NH+](CC1)C)OC2=CC=C(C=C2)OC

InChI

InChI=1S/C19H31N3O3/c1-4-18(25-17-8-6-16(24-3)7-9-17)19(23)20-10-5-11-22-14-12-21(2)13-15-22/h6-9,18H,4-5,10-15H2,1-3H3,(H,20,23)/p+1/t18-/m0/s1