2-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]ethylazanium

Systemtic Name: 2-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]ethylazanium Openeye Name: 2-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]ethylammonium CAS Name: 2-[4-[4-(2-ethyl-1-oxobutyl)-1-piperazinyl]phenyl]ethylammonium IUPAC Name: 2-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]ethylazanium Traditional Name: 2-[4-[4-(2-ethylbutanoyl)piperazino]phenyl]ethylammonium Formula: C18H30N3O+ MolecularWeight: 304.4503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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