[(4S)-4-(4-methoxy-3-methyl-phenyl)-4-(4-methylpiperazin-4-ium-1-yl)butyl]azanium

Systemtic Name: [(4S)-4-(4-methoxy-3-methyl-phenyl)-4-(4-methylpiperazin-4-ium-1-yl)butyl]azanium Openeye Name: [(4S)-4-(4-methoxy-3-methyl-phenyl)-4-(4-methylpiperazin-4-ium-1-yl)butyl]ammonium CAS Name: [(4S)-4-(4-methoxy-3-methylphenyl)-4-(4-methyl-1-piperazin-4-iumyl)butyl]ammonium IUPAC Name: [(4S)-4-(4-methoxy-3-methylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)butyl]azanium Traditional Name: [(4S)-4-(4-methoxy-3-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=C(C=CC(=C1)C(CCC[NH3+])N2CC[NH+](CC2)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H29N3O/c1-14-13-15(6-7-17(14)21-3)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