[(4S)-4-(2-methoxy-5-methyl-phenyl)-4-(4-methylpiperazin-4-ium-1-yl)butyl]azanium

Systemtic Name: [(4S)-4-(2-methoxy-5-methyl-phenyl)-4-(4-methylpiperazin-4-ium-1-yl)butyl]azanium Openeye Name: [(4S)-4-(2-methoxy-5-methyl-phenyl)-4-(4-methylpiperazin-4-ium-1-yl)butyl]ammonium CAS Name: [(4S)-4-(2-methoxy-5-methylphenyl)-4-(4-methyl-1-piperazin-4-iumyl)butyl]ammonium IUPAC Name: [(4S)-4-(2-methoxy-5-methylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)butyl]azanium Traditional Name: [(4S)-4-(2-methoxy-5-methyl-phenyl)-4-(4-methylpiperazin-4-ium-1-yl)butyl]ammonium Formula: C17H31N3O+2 MolecularWeight: 293.44754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(CCC[NH3+])N2CC[NH+](CC2)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)[C@H](CCC[NH3+])N2CC[NH+](CC2)C

InChI

InChI=1S/C17H29N3O/c1-14-6-7-17(21-3)15(13-14)16(5-4-8-18)20-11-9-19(2)10-12-20/h6-7,13,16H,4-5,8-12,18H2,1-3H3/p+2/t16-/m0/s1