3-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]propylazanium

Systemtic Name: 3-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]propylazanium Openeye Name: 3-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]propylammonium CAS Name: 3-[4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]propylammonium IUPAC Name: 3-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]propylazanium Traditional Name: 3-[4-(4-isovalerylpiperazino)phenyl]propylammonium Formula: C18H30N3O+ MolecularWeight: 304.4503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C2=CC=C(C=C2)CCC[NH3+]

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=CC=C(C=C2)CCC[NH3+]

InChI

InChI=1S/C18H29N3O/c1-15(2)14-18(22)21-12-10-20(11-13-21)17-7-5-16(6-8-17)4-3-9-19/h5-8,15H,3-4,9-14,19H2,1-2H3/p+1