[4-(azaniumylmethyl)-1-propan-2-yl-piperidin-4-yl]-ethyl-(phenylmethyl)azanium

Systemtic Name: [4-(azaniumylmethyl)-1-propan-2-yl-piperidin-4-yl]-ethyl-(phenylmethyl)azanium Openeye Name: [4-(azaniumylmethyl)-1-isopropyl-4-piperidyl]-benzyl-ethyl-ammonium CAS Name: [4-(ammoniomethyl)-1-propan-2-yl-4-piperidinyl]-ethyl-(phenylmethyl)ammonium IUPAC Name: [4-(azaniumylmethyl)-1-propan-2-ylpiperidin-4-yl]-benzyl-ethylazanium Traditional Name: [4-(ammoniomethyl)-1-isopropyl-4-piperidyl]-benzyl-ethyl-ammonium Formula: C18H33N3+2 MolecularWeight: 291.47472

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)C2(CCN(CC2)C(C)C)C[NH3+]

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)C2(CCN(CC2)C(C)C)C[NH3+]

InChI

InChI=1S/C18H31N3/c1-4-21(14-17-8-6-5-7-9-17)18(15-19)10-12-20(13-11-18)16(2)3/h5-9,16H,4,10-15,19H2,1-3H3/p+2