1-(7-piperazin-4-ium-1-yl-3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-one

Systemtic Name: 1-(7-piperazin-4-ium-1-yl-3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-one Openeye Name: 1-(7-piperazin-4-ium-1-yl-3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-one CAS Name: 1-[7-(1-piperazin-4-iumyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-pentanone IUPAC Name: 1-(7-piperazin-4-ium-1-yl-3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-one Traditional Name: 1-(7-piperazin-4-ium-1-yl-3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-one Formula: C18H28N3O+ MolecularWeight: 302.43442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CCC2=C(C1)C=C(C=C2)N3CC[NH2+]CC3

Isomeric SMILES

CCCCC(=O)N1CCC2=C(C1)C=C(C=C2)N3CC[NH2+]CC3

InChI

InChI=1S/C18H27N3O/c1-2-3-4-18(22)21-10-7-15-5-6-17(13-16(15)14-21)20-11-8-19-9-12-20/h5-6,13,19H,2-4,7-12,14H2,1H3/p+1