(E)-3-[4-(azepan-1-yl)phenyl]-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[4-(azepan-1-yl)phenyl]-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[4-(azepan-1-yl)phenyl]-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one CAS Name: (E)-3-[4-(1-azepanyl)phenyl]-1-(4-methyl-1-piperazin-4-iumyl)-2-propen-1-one IUPAC Name: (E)-3-[4-(azepan-1-yl)phenyl]-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Traditional Name: (E)-3-[4-(azepan-1-yl)phenyl]-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Formula: C20H30N3O+ MolecularWeight: 328.4717

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C=CC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C20H29N3O/c1-21-14-16-23(17-15-21)20(24)11-8-18-6-9-19(10-7-18)22-12-4-2-3-5-13-22/h6-11H,2-5,12-17H2,1H3/p+1/b11-8+